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BDBM50408441 CHEMBL2112476

SMILES: CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1

InChI Key: InChIKey=JVFWMCDLDRFBQK-UIOOFZCWSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408441   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50408441
PNG
(CHEMBL2112476)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1
Show InChI InChI=1S/C29H32N4O2S/c1-32(21-23-14-7-3-8-15-23)28(35)25(20-22-12-5-2-6-13-22)31-27(34)26-18-11-19-33(26)29(36)30-24-16-9-4-10-17-24/h2-10,12-17,25-26H,11,18-21H2,1H3,(H,30,36)(H,31,34)/t25-,26-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells tr...


J Med Chem 41: 3159-73 (1998)


Article DOI: 10.1021/jm970499g
BindingDB Entry DOI: 10.7270/Q2BZ66QJ
More data for this
Ligand-Target Pair